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Information card for entry 7056844
Preview
| Coordinates | 7056844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-((1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2,3,4,9-tetrahydro-1H-2l4-pyrido[3,4-b]indole |
|---|---|
| Formula | C21 H23 N6 |
| Calculated formula | C21 H23 N6 |
| SMILES | C1Cc2c3ccccc3[nH]c2CN1Cc1n(c2c(cccc2C)C)nnn1 |
| Title of publication | Synthesis of 1′-tetrazolylmethyl-spiro[pyrrolidine-3,3′-oxindoles] via two coupled one-pot processes Ugi-azide/Pictet‒Spengler and oxidative spiro-rearrangement |
| Authors of publication | Alvarez-Rodríguez, Nancy V.; Islas-Jácome, Alejandro; Rentería-Gómez, Angel; Cárdenas-Galindo, Luis E.; Unnamatla, M. V. Basavanag; Gámez-Montaño, Rocío |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 3 |
| Pages of publication | 1600 |
| a | 8.22814 ± 0.00016 Å |
| b | 32.213 ± 0.0005 Å |
| c | 7.46549 ± 0.00015 Å |
| α | 90° |
| β | 109.201 ± 0.002° |
| γ | 90° |
| Cell volume | 1868.67 ± 0.06 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230563 (current) | 2019-11-17 | cif/ Updating files of 7056843, 7056844 Original log message: Adding full bibliography for 7056843--7056844.cif. |
7056844.cif |
| 204479 | 2017-12-22 | cif/ Adding structures of 7056843, 7056844 via cif-deposit CGI script. |
7056844.cif |
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Users of the data should acknowledge the original authors of the
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